1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

C16H20N2O3S — CID 5495

IUPAC1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
InChIKeySFVSRXRSAJNPAC-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.81
Rot. Bonds6

About 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione

1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 5495) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID5495
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione
SMILESCCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H20N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20)
InChIKeySFVSRXRSAJNPAC-UHFFFAOYSA-N
XLogP2.81
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione (CID 5495) is 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione is CCOCn1c(Sc2ccccc2)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is SFVSRXRSAJNPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-4-21-10-18-15(22-12-8-6-5-7-9-12)13(11(2)3)14(19)17-16(18)20/h5-9,11H,4,10H2,1-3H3,(H,17,19,20).
What are the key properties of 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione?
1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 320.41 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-6-phenylsulfanyl-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 5495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).